Crystallography Open Database

Information card for entry 7100244

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Coordinates	7100244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 F7 Ir N6
Calculated formula	C30 H16 F7 Ir N6
SMILES	[Ir]123(n4nc(nc4c4[n]1cccc4)C(F)(F)F)([n]1c(c4c3cc(cc4F)F)cccc1)[n]1ccccc1c1c(cc(cc21)F)F
Title of publication	Blue-to-green electrophosphorescence of iridium-based cyclometallated materials
Authors of publication	Andy Holmes; Richard M. W. Friend; Anna Hayer; K. Anna; Chris S.K. Mak; Sofia I. Pascu; S.E. Watkins
Journal of publication	Chemical Communications
Year of publication	2005
a	31.9711 ± 0.0013 Å
b	10.4764 ± 0.0004 Å
c	15.9719 ± 0.0007 Å
α	90°
β	91.655 ± 0.001°
γ	90°
Cell volume	5347.4 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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